MgFeF5
MgFeF5 is a metastable, wide-gap insulating fluoride compound utilized primarily in fundamental solid-state materials research.
About MgFeF5
MgFeF5 is a complex fluoride compound that exhibits wide-gap insulating electronic characteristics. Its structural framework is defined by a notable degree of polymorphism, reflecting a metastable nature that makes it a subject of significant interest in solid-state chemistry research.
Because of its unique composition, this material is primarily studied for its physical properties and potential utility in specialized inorganic synthesis. Its stability profile suggests it occupies a distinct niche within fluoride-based materials science, where it serves as a model for understanding phase transitions.
Key Properties
Cross-validated computational properties for MgFeF5, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for MgFeF5, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 3.62 | 0.0488 | -5.911 | 3.22 |
| P21/c (No. 14) | monoclinic | 3.68 | 0.0579 | -5.902 | 3.28 |
| P-1 (No. 2) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.22 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.41 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.36 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.28 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.45 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.40 |
Applications
Where MgFeF5 is used.
Frequently Asked Questions
Common questions about MgFeF5, answered from cross-validated data.
What is MgFeF5?
MgFeF5 is a metastable, wide-gap insulating fluoride compound utilized primarily in fundamental solid-state materials research.
What is MgFeF5 used for?
What is the band gap of MgFeF5?
Is MgFeF5 a metal, semiconductor, or insulator?
Is MgFeF5 thermodynamically stable?
What is the crystal structure of MgFeF5?
What is the density of MgFeF5?
How many polymorphs of MgFeF5 are known?
What elements does MgFeF5 contain?
Where does the data for MgFeF5 come from?
How It Compares
As a metastable fluoride, MgFeF5 represents a specialized case within the broader family of metal fluorides. Unlike more common, highly stable binary fluorides, this compound highlights the structural complexity possible when combining magnesium and iron, serving as a key reference point for researchers investigating non-equilibrium phases in complex halide systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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